dibenzo[a,o]phenathro[3,4-s]pycene

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: dibenzo[a,o]phenathro[3,4-s]pycene
• 英文别名: Decacyclo[28.12.0.02,15.03,12.04,9.016,29.017,26.018,23.033,42.036,41]dotetraconta-1,3(12),4,6,8,10,13,15,17(26),18,20,22,24,27,29,31,33(42),34,36,38,40-henicosaene；decacyclo[28.12.0.02,15.03,12.04,9.016,29.017,26.018,23.033,42.036,41]dotetraconta-1,3(12),4,6,8,10,13,15,17(26),18,20,22,24,27,29,31,33(42),34,36,38,40-henicosaene
• 化学式: C₄₂H₂₄
• 分子量: 528.653
• InChiKey: AKGWJKOCMLBXIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.2
• 重原子数：
  42
• 可旋转键数：
  0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  3-(trimethylsilyl)phenanthren-4-yl trifluoromethanesulfonate 在 tris(dibenzylideneacetone)dipalladium (0) 、 cesium fluoride 作用下， 反应 12.0h， 以26%的产率得到dibenzo[a,o]phenathro[3,4-s]pycene
  参考文献：
  名称：

  Dibenzo[a,o]phenanthro[3,4-s]pycene, a Configurationally Stable Double Helicene:  Synthesis and Determination of Its Conformation by NMR and GIAO Calculations

  摘要：

  A double helicene formed by a pentahelicene and a heptahelicene with two rings in common was obtained by palladium-catalyzed cyclotrimerization of 3,4-didehydrophenanthrene and was characterized conformationally by NMR and GIAO calculations.

  DOI：

  10.1021/ol034433t

文献信息

• Dibenzo[<i>a</i>,<i>o</i>]phenanthro[3,4-<i>s</i>]pycene, a Configurationally Stable Double Helicene:  Synthesis and Determination of Its Conformation by NMR and GIAO Calculations
  作者：Diego Peña、Agustín Cobas、Dolores Pérez、Enrique Guitián、Luis Castedo

  DOI：10.1021/ol034433t

  日期：2003.5.1

  A double helicene formed by a pentahelicene and a heptahelicene with two rings in common was obtained by palladium-catalyzed cyclotrimerization of 3,4-didehydrophenanthrene and was characterized conformationally by NMR and GIAO calculations.